8-Bromo-3-methylquinoline

CAT: 0926-XQA32376-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XQA32376-01Size:50 mg

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CAS Number

397323-76-1

MDL Number

MFCD20483872

Smiles

CC1=CC2=C (C (=CC=C2) Br) N=C1

Molecular Formula

C10H8BrN

Molecular Weight

222.08 g/mol

Controlled

Chemical Information

8-Bromo-3-methylquinoline

CAS Number	397323-76-1
PubChem CID	23510430
IUPAC Name	8-bromo-3-methylquinoline
Molecular Formula	C10H8BrN
Molecular Weight	222.08
XLogP	3.2
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CC1=CC2=C(C(=CC=C2)Br)N=C1

InChI

InChI=1S/C10H8BrN/c1-7-5-8-3-2-4-9(11)10(8)12-6-7/h2-6H,1H3

InChIKey

RWCWWHKSMOHVEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 397323-76-1

CID: 23510430

Formula: C10H8BrN

MW: 222.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.08
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.98401
Monoisotopic Mass	220.98401
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
YHB80351-01	8-Bromo-5-methylquinoline
YDA20308-01	8-Bromo-7-methylquinoline
FB168383	8-Bromo-2-methylquinoline
CEC44319-01	3-Bromo-8-fluoro-6-methylquinoline
JAC51995-01	3-Bromo-8-fluoro-2-methylquinoline
KBA74086-01	2-Bromo-3-methylquinoline
BJD94567-01	5-Bromo-7-fluoro-8-methylquinoline
RCA43878-01	3-Bromo-6-methylquinoline
RCA43879-01	3-Bromo-7-methylquinoline
XQA32246-01	5-Bromo-3-methylquinoline